N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide

C15H22BrN3O — CID 60857365

IUPACN-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
SMILESCCN1CCC(CNCC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN3O/c1-2-19-7-6-12(11-19)9-17-10-15(20)18-14-5-3-4-13(16)8-14/h3-5,8,12,17H,2,6-7,9-11H2,1H3,(H,18,20)
InChIKeyXHEODOXMKXLGEG-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.32
Rot. Bonds6

About N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide

N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide (PubChem CID 60857365) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
PubChem CID60857365
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC NameN-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
SMILESCCN1CCC(CNCC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN3O/c1-2-19-7-6-12(11-19)9-17-10-15(20)18-14-5-3-4-13(16)8-14/h3-5,8,12,17H,2,6-7,9-11H2,1H3,(H,18,20)
InChIKeyXHEODOXMKXLGEG-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648071
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
N-(3-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418146
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
N-(3-bromophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80584752
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962
N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81038558

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide (CID 60857365) is N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide is CCN1CCC(CNCC(=O)Nc2cccc(Br)c2)C1.
What is the InChIKey of N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide?
The InChIKey is XHEODOXMKXLGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-19-7-6-12(11-19)9-17-10-15(20)18-14-5-3-4-13(16)8-14/h3-5,8,12,17H,2,6-7,9-11H2,1H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide?
N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide has a molecular weight of 340.26 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide is sourced from PubChem (CID 60857365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).